2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide

C16H17F3N4O2 — CID 15603790

IUPAC2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O2/c1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-6-5-7-11(8-10)25-16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,20,24)
InChIKeyNQVRGUOQGMSHMX-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.99
Rot. Bonds6

About 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide

2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 15603790) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID15603790
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O2/c1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-6-5-7-11(8-10)25-16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,20,24)
InChIKeyNQVRGUOQGMSHMX-UHFFFAOYSA-N
XLogP2.99
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide (CID 15603790) is 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide is CCN(CC)c1nc(C(N)=O)cc(-c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is NQVRGUOQGMSHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-6-5-7-11(8-10)25-16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,20,24).
What are the key properties of 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 15603790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).